tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate

C72H74Br4N12O9 — CID 157076796

IUPACtert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C24H24Br2N4O3.2C24H25BrN4O3/c1-24(2,3)33-23(32)29-12-21(17-10-27-19-8-13(25)4-6-15(17)19)30-22(31)18-11-28-20-9-14(26)5-7-16(18)20;1-24(2,3)32-23(31)28-13-21(17-11-27-20-10-14(25)8-9-16(17)20)29-22(30)18-12-26-19-7-5-4-6-15(18)19;1-24(2,3)32-23(31)28-13-21(17-11-26-19-7-5-4-6-15(17)19)29-22(30)18-12-27-20-10-14(25)8-9-16(18)20/h4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31);2*4-12,21,26-27H,13H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyADBHNGAIALMUTL-UHFFFAOYSA-N
MW1571.07 g/mol
LogP16.99
Rot. Bonds15

About tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate

tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate (PubChem CID 157076796) has the molecular formula C72H74Br4N12O9 and a molecular weight of 1571.07 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate
PubChem CID157076796
Molecular FormulaC72H74Br4N12O9
Molecular Weight1571.07 g/mol
Exact Mass1566.24
IUPAC Nametert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C24H24Br2N4O3.2C24H25BrN4O3/c1-24(2,3)33-23(32)29-12-21(17-10-27-19-8-13(25)4-6-15(17)19)30-22(31)18-11-28-20-9-14(26)5-7-16(18)20;1-24(2,3)32-23(31)28-13-21(17-11-27-20-10-14(25)8-9-16(17)20)29-22(30)18-12-26-19-7-5-4-6-15(18)19;1-24(2,3)32-23(31)28-13-21(17-11-26-19-7-5-4-6-15(17)19)29-22(30)18-12-27-20-10-14(25)8-9-16(18)20/h4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31);2*4-12,21,26-27H,13H2,1-3H3,(H,28,31)(H,29,30)
InChIKeyADBHNGAIALMUTL-UHFFFAOYSA-N
XLogP16.99
TPSA297.03 Ų
H-Bond Donors12
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001571.07
LogP ≤ 516.99
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate with MolForge

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Related Compounds

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CID 129905671
tert-butyl N-[2-benzamido-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[[2-(4-bromophenyl)acetyl]amino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(pyridine-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
CID 158851409
tert-butyl N-[(1R)-1-(1-acetyl-6-bromoindol-3-yl)-2-[[2-(1-acetyl-6-bromoindol-3-yl)-2-oxoacetyl]amino]ethyl]carbamate
CID 134972255
bis(acetonitrile);bis(tert-butyl 6-bromo-3-[(1S,2S)-3-(6-bromo-1H-indol-3-yl)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-1-carboxylate)
CID 168334913
2-(6-bromo-1H-indol-3-yl)-N-[3-[10-[3-[[2-(6-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]propylamino]decylamino]propyl]-2-oxoacetamide
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tert-butyl 3-[(2S)-2-[[4-[(E)-2-[4-[[(2S)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carbonyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]pyrrolidine-1-carbonyl]indole-1-carboxylate
CID 58768810

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate (CID 157076796) is tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2cc(Br)ccc12)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)NCC(NC(=O)c1c[nH]c2ccccc12)c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate?
The InChIKey is ADBHNGAIALMUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Br2N4O3.2C24H25BrN4O3/c1-24(2,3)33-23(32)29-12-21(17-10-27-19-8-13(25)4-6-15(17)19)30-22(31)18-11-28-20-9-14(26)5-7-16(18)20;1-24(2,3)32-23(31)28-13-21(17-11-27-20-10-14(25)8-9-16(17)20)29-22(30)18-12-26-19-7-5-4-6-15(18)19;1-24(2,3)32-23(31)28-13-21(17-11-26-19-7-5-4-6-15(17)19)29-22(30)18-12-27-20-10-14(25)8-9-16(18)20/h4-11,21,27-28H,12H2,1-3H3,(H,29,32)(H,30,31);2*4-12,21,26-27H,13H2,1-3H3,(H,28,31)(H,29,30).
What are the key properties of tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate?
tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate has a molecular weight of 1571.07 g/mol, XLogP of 16.99, 15 rotatable bonds, 12 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate is sourced from PubChem (CID 157076796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).